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3,3'-Thiodi(propionic acid)
SpectraBase Compound ID FyZanaMtVIS
InChI InChI=1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKey ODJQKYXPKWQWNK-UHFFFAOYSA-N
Mol Weight 178.2 g/mol
Molecular Formula C6H10O4S
Exact Mass 178.02998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Uu9KEHiaQ9
Name Propanoic acid, 3,3'-thiobis-
CAS Registry Number 111-17-1
Classification Dicarboxylic acids and derivatives
Comments Generally Recognized as Safe; NTIS Accession Number: PB80104599
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 178.029979972 u
Formula C6H10O4S
InChI InChI=1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKey ODJQKYXPKWQWNK-UHFFFAOYSA-N
Molecular Weight 178.202 g/mol
Number of Peaks 81
SMILES OC(CCSCCC(=O)O)=O
SPLASH splash10-01rj-9300000000-e21a41fc1858b16e0d97
Source of Spectrum W5-11995-0-0
Synonyms Propionic acid, 3,3'-thiodi- .beta.,.beta.'-Thiodipropionic acid 3,3'-Thiobis(propanoic acid) 3,3'-Thiodi(propionic acid) 3,3'-Thiodipropanoic acid 3-(2-carboxyethylthio)propanoic acid 3-(2-carboxyethylthio)propionic acid 3-[(2-carboxyethyl)sulfanyl]propanoic acid 4-Thiaheptanedioic acid Bis(2-carboxyethyl) sulfide Diethyl sulfide 2,2'-dicarboxylic acid Kyselina 3,3-thiodipropionova Kyselina beta,beta'-thiodipropionova TDPA Thiahydracrylic acid Thiodihydracrylic acid Thiodipropionic acid Tyox A 3-(2-carboxyethylsulfanyl)propanoic acid AI3-25276 CCRIS 3288 EINECS 203-841-3 HSDB 858 NSC 8166
Wiley ID 1173536